⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6844799 | 0.83 | — | — | |
| SCHEMBL1402828 | 0.71 | — | — | |
| SCHEMBL6445109 | 0.62 | — | — | |
| SCHEMBL14093974 | 0.58 | — | — | |
| SCHEMBL1402517 | 0.58 | — | — | |
| SCHEMBL1402638 | 0.58 | — | — | |
| SCHEMBL4646488 | 0.58 | — | — | |
| SCHEMBL636269 | 0.57 | — | — | |
| SCHEMBL2768508 | 0.57 | — | — | |
| SCHEMBL172244 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458917-B2 | CURABLE; POLYSULFIDES | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| EP-0942027-A2 | A polymerizable composition | Mitsui Chemicals, Inc. (JP) | 1999-09-15 | — | — | EP | disclosed |